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Fumaric acid, 2-ethylcyclohexyl undecyl ester

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Fumaric acid, 2-ethylcyclohexyl undecyl ester
SpectraBase Compound ID 7TgyAf38EhZ
InChI InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-14-19-26-22(24)17-18-23(25)27-21-16-13-12-15-20(21)4-2/h17-18,20-21H,3-16,19H2,1-2H3/b18-17+
InChIKey KJFITGPFRKLNHV-ISLYRVAYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8G8m8TL5ldh
Name Fumaric acid, 2-ethylcyclohexyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-14-19-26-22(24)17-18-23(25)27-21-16-13-12-15-20(21)4-2/h17-18,20-21H,3-16,19H2,1-2H3/b18-17+
InChIKey KJFITGPFRKLNHV-ISLYRVAYSA-N
Molecular Weight 380.569 g/mol
SMILES C(C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O)C